ChemoProfiling SAR (Structure Activity Relationships)

Here we present ChemoProfiling SAR, an online tool for inference of Structure Activity Relationships from large scale chemical screening assays. As input, ChemoProfiling SAR accepts screened molecules (SMILES) divided into active and inactive subsets. As output, chemical substructures significantly enriched in active molecules are reported. ChemoProfiling platform also incorporates tools that provide additional information on substructure functional properties based on mining of plethora publicly available large scale screening assays.